3-methyl-N-propa-1,2-dienylaniline

C10H11N — CID 176533877

IUPAC3-methyl-N-propa-1,2-dienylaniline
SMILESC=C=CNc1cccc(C)c1
InChIInChI=1S/C10H11N/c1-3-7-11-10-6-4-5-9(2)8-10/h4-8,11H,1H2,2H3
InChIKeyPALLHJQLJMVIHX-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.71
Rot. Bonds2

About 3-methyl-N-propa-1,2-dienylaniline

3-methyl-N-propa-1,2-dienylaniline (PubChem CID 176533877) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 3-methyl-N-propa-1,2-dienylaniline.

Molecular Properties

Compound Name3-methyl-N-propa-1,2-dienylaniline
PubChem CID176533877
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name3-methyl-N-propa-1,2-dienylaniline
SMILESC=C=CNc1cccc(C)c1
InChIInChI=1S/C10H11N/c1-3-7-11-10-6-4-5-9(2)8-10/h4-8,11H,1H2,2H3
InChIKeyPALLHJQLJMVIHX-UHFFFAOYSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-(3-methylanilino)but-2-enenitrile
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1-(3-methylanilino)oxyethenol
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N-(3-methylphenyl)ethenesulfonamide
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(Z)-2-(4-chlorophenyl)-3-(3-methylanilino)prop-2-enenitrile
CID 1473184
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CID 70638628
ethane;N-[(Z)-ethylideneamino]-3-methylaniline
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propa-1,2-dienylaniline?
The IUPAC name of 3-methyl-N-propa-1,2-dienylaniline (CID 176533877) is 3-methyl-N-propa-1,2-dienylaniline.
What is the SMILES notation for 3-methyl-N-propa-1,2-dienylaniline?
The canonical SMILES for 3-methyl-N-propa-1,2-dienylaniline is C=C=CNc1cccc(C)c1.
What is the InChIKey of 3-methyl-N-propa-1,2-dienylaniline?
The InChIKey is PALLHJQLJMVIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-3-7-11-10-6-4-5-9(2)8-10/h4-8,11H,1H2,2H3.
What are the key properties of 3-methyl-N-propa-1,2-dienylaniline?
3-methyl-N-propa-1,2-dienylaniline has a molecular weight of 145.20 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propa-1,2-dienylaniline is sourced from PubChem (CID 176533877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).